- InChI
- InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
- InChI Key
- VEZXCJBBBCKRPI-UHFFFAOYSA-N
- Formula
- C3H4O2
- SMILES
- O=C1CCO1
- Molecular Weight1
- 72.06
- CAS
- 57-57-8
- Other Names
-
- 1,3-Propiolactone
- 2-Oxacyclobutanone
- 2-Oxetanone
- 2-Oxooxetane
- 3-Hydroxypropionic acid «beta»-lactone
- 3-Hydroxypropionic acid, lactone
- 3-Propanolide
- 3-Propiolactone
- BPL
- Beta-propiolactone
- Betaprone
- Hydracrylic acid «beta»-lactone
- NSC-21626
- Oxetan-2-one
- Propanoic acid, 3-hydroxy-, «beta»-lactone
- Propanolide
- Propiolactone «beta»-
- Propionic acid, 3-hydroxy-, «beta»-lactone
- Propionolactone
- «beta»-Propanoic acid lactone
- «beta»-Propiolactone
- «beta»-Propiolakton
- «beta»-Propionolactone
- «beta»-Propriolactone
- «beta»-Proprolactone
- «beta»-lactone hydracrylic acid
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-1422.30; -1419.00] | kJ/mol |
|
| ΔcH°liquid | -1419.00 ± 1.20 | kJ/mol | NIST |
| ΔcH°liquid | -1422.30 ± 0.84 | kJ/mol | NIST |
| ΔfH°gas | [-286.20; -282.90] | kJ/mol |
|
| ΔfH°gas | -286.20 | kJ/mol | NIST |
| ΔfH°gas | -282.90 | kJ/mol | NIST |
| ΔfH°gas | -282.90 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | [-333.20; -329.90] | kJ/mol |
|
| ΔfH°liquid | -333.20 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -329.90 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -329.90 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 7.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.00; 47.03] | kJ/mol |
|
| ΔvapH° | 47.03 ± 0.04 | kJ/mol | NIST |
| ΔvapH° | 47.00 | kJ/mol | NIST |
| ΔvapH° | 47.00 ± 0.10 | kJ/mol | NIST |
| IE | 9.70 ± 0.01 | eV | NIST |
| logPoct/wat | -0.067 | Crippen Calculated Property | |
| McVol | 49.710 | ml/mol | McGowan Calculated Property |
| Pc | 5382.80 | kPa | Joback Calculated Property |
| S°liquid | [175.30; 175.40] | J/mol×K |
|
| S°liquid | 175.30 | J/mol×K | NIST |
| S°liquid | 175.40 | J/mol×K | NIST |
| Tboil | 435.20 | K | NIST |
| Tc | 672.79 | K | Relay (1.0) Calculated Property |
| Tfus | 238.11 | K | Relay (1.0) Calculated Property |
| Ttriple | [239.86; 239.86] | K |
|
| Ttriple | 239.86 ± 0.02 | K | NIST |
| Ttriple | 239.86 ± 0.01 | K | NIST |
| Ttriple | 239.86 ± 0.02 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [122.10; 122.20] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 122.10 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 122.20 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.41; 9.41] | kJ/mol | [239.86; 239.90] |
|
| ΔfusH | 9.41 | kJ/mol | 239.86 | NIST |
| ΔfusH | 9.41 | kJ/mol | 239.86 | NIST |
| ΔfusH | 9.41 | kJ/mol | 239.86 | NIST |
| ΔfusH | 9.41 | kJ/mol | 239.90 | NIST |
| ΔvapH | 46.40 | kJ/mol | 379.50 | NIST |
| ΔfusS | [39.23; 39.23] | J/mol×K | [239.86; 239.86] |
|
| ΔfusS | 39.23 | J/mol×K | 239.86 | NIST |
| ΔfusS | 39.23 | J/mol×K | 239.86 | NIST |
| ΔfusS | 39.23 | J/mol×K | 239.86 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [64.64; 153.51] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.54900e+01 | |||
| Coefficient B | 4.21000e-01 | |||
| Coefficient C | -3.66800e-04 | |||
| Coefficient D | 1.24800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 64.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 83.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 98.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 111.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 121.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 130.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 137.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 143.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 148.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 153.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010374; 0.0003029] | Pa×s | [191.60; 362.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.48646e+00 | |||
| Coefficient B | 5.01120e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 191.60 | |||
| Temperature range, max. | 362.00 | |||
| η | 0.0010374 | Pa×s | 191.60 | Calculated Property |
| η | 0.0008200 | Pa×s | 210.53 | Calculated Property |
| η | 0.0006738 | Pa×s | 229.47 | Calculated Property |
| η | 0.0005705 | Pa×s | 248.40 | Calculated Property |
| η | 0.0004945 | Pa×s | 267.33 | Calculated Property |
| η | 0.0004368 | Pa×s | 286.27 | Calculated Property |
| η | 0.0003919 | Pa×s | 305.20 | Calculated Property |
| η | 0.0003561 | Pa×s | 324.14 | Calculated Property |
| η | 0.0003269 | Pa×s | 343.07 | Calculated Property |
| η | 0.0003029 | Pa×s | 362.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [325.01; 485.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37466e+01 | |||
| Coefficient B | -3.63658e+03 | |||
| Coefficient C | -5.48150e+01 | |||
| Temperature range, min. | 325.01 | |||
| Temperature range, max. | 485.94 | |||
| Pvap | 1.33 | kPa | 325.01 | Calculated Property |
| Pvap | 3.07 | kPa | 342.89 | Calculated Property |
| Pvap | 6.43 | kPa | 360.77 | Calculated Property |
| Pvap | 12.39 | kPa | 378.65 | Calculated Property |
| Pvap | 22.30 | kPa | 396.53 | Calculated Property |
| Pvap | 37.86 | kPa | 414.42 | Calculated Property |
| Pvap | 61.12 | kPa | 432.30 | Calculated Property |
| Pvap | 94.50 | kPa | 450.18 | Calculated Property |
| Pvap | 140.69 | kPa | 468.06 | Calculated Property |
| Pvap | 202.66 | kPa | 485.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Propiolactone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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